Titlebook: Supercomputing; 7th Russian Supercom Vladimir Voevodin,Sergey Sobolev Conference proceedings 2021 Springer Nature Switzerland AG 2021 artif

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3D Simulation of the Reactive Transport at Pore Scale the pore space geometry. Thus, the fluids flow and transport of chemically active components are simulated in the pore space. After that the heterogeneous reactions are used to compute the fluid-solid interaction. Evolution of the interface is implemented by the level-set methods which allows handl

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Application of Docking and Quantum Chemistry to the Search for Inhibitors of SARS-CoV-2 Main Proteasponsible for the COVID-19 pandemic. More than 14 thousand organic compounds from the commercially available Maybridge database were docked into the active site of main protease using the SOL docking program, and more than 100 ligands with the most negative SOL scores were selected for further proces

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Calculation of Integral Coefficients for Correlation Magnetodynamics and Verification of the Theoryry single atom. For practical applications, a micromagnetic approach is used. In the micromagnetic approach, the equation describes the evolution of the distribution of an average magnetization in a continuous material..Because of the intense exchange interaction and temperature fluctuations, a corr

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Clumps and Filaments Generated by Collisions Between Rotating and Non-rotating Molecular Cloudsal code with parallelization. Various scenarios of the impact of non-rotating clouds and mutual penetration of swirling clouds according to different schemes have been investigated. A numerical experiment was carried out with a change in the number of nodes of the computational mesh from 256. to 102

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Heterogeneous Parallel Algorithm for Compressible Flow Simulations on Adaptive Mixed Meshes an explicit second order accurate finite-volume method for Navier-Stokes equations with linear reconstruction of variables. Gas dynamics equations are discretized on hanging node meshes of tetrahedra, prisms, pyramids, and hexahedra. The mesh adaptation procedure consists in the recursive refinemen

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Bronchial-Tubes